3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one

C9H13BrN4O — CID 165480215

IUPAC3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one
SMILESCC1(Cn2cc(Br)c(N)n2)CCNC1=O
InChIInChI=1S/C9H13BrN4O/c1-9(2-3-12-8(9)15)5-14-4-6(10)7(11)13-14/h4H,2-3,5H2,1H3,(H2,11,13)(H,12,15)
InChIKeyDBMMNTJCTKALDG-UHFFFAOYSA-N
MW273.13 g/mol
LogP0.75
Rot. Bonds2

About 3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one

3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one (PubChem CID 165480215) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one
PubChem CID165480215
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one
SMILESCC1(Cn2cc(Br)c(N)n2)CCNC1=O
InChIInChI=1S/C9H13BrN4O/c1-9(2-3-12-8(9)15)5-14-4-6(10)7(11)13-14/h4H,2-3,5H2,1H3,(H2,11,13)(H,12,15)
InChIKeyDBMMNTJCTKALDG-UHFFFAOYSA-N
XLogP0.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-(methoxymethyl)pyrazol-3-amine
CID 65364325
3-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylpyrrolidin-2-one
CID 164654231
3-methyl-3-(methylaminomethyl)pyrrolidin-2-one
CID 169259581
3-(2-hydroxyethyl)-3-methylpyrrolidin-2-one
CID 12682994
4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine
CID 82892603
1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol
CID 65277437
4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
CID 165483608
3-benzyl-3-methylpyrrolidin-2-one
CID 10420013
3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide
CID 62324609
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 82866303
6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol
CID 107703736
4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine
CID 61176947

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one (CID 165480215) is 3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one is CC1(Cn2cc(Br)c(N)n2)CCNC1=O.
What is the InChIKey of 3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one?
The InChIKey is DBMMNTJCTKALDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c1-9(2-3-12-8(9)15)5-14-4-6(10)7(11)13-14/h4H,2-3,5H2,1H3,(H2,11,13)(H,12,15).
What are the key properties of 3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one?
3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one has a molecular weight of 273.13 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-bromopyrazol-1-yl)methyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 165480215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).